#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khf n ALA 2 N 0.00 0.00 -0.26 4.61 0.00 -1.26 -4.97 120.51 118.63 2khf n ALA 2 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2khf n ALA 2 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 2khf n ALA 2 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2khf h TRP 3 N 0.00 0.62 -0.36 0.00 5.08 -2.05 -0.29 115.95 118.95 2khf h TRP 3 Ca 0.00 0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.02 2khf h TRP 3 Cb 0.00 -0.19 -0.03 0.00 -3.00 0.00 0.00 29.16 25.94 2khf h TRP 3 CO 0.00 0.16 0.15 1.57 -1.28 0.00 0.00 178.44 179.04 2khf h LYS 4 N 0.46 0.31 -0.27 0.12 2.10 -1.99 0.20 116.57 117.49 2khf h LYS 4 Ca 0.49 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.98 2khf h LYS 4 Cb 1.14 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2khf h LYS 4 CO -0.20 0.20 -0.41 -0.91 -2.00 0.00 0.00 179.45 176.13 2khf h ASN 5 N 0.32 0.70 0.37 7.07 2.35 -1.50 -2.76 115.58 122.12 2khf h ASN 5 Ca 0.16 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2khf h ASN 5 Cb 0.10 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2khf h ASN 5 CO -0.14 1.03 -0.18 0.15 -1.65 0.00 0.00 177.43 176.64 2khf h PHE 6 N 0.54 -0.46 0.12 1.19 3.57 -0.74 -1.44 116.94 119.72 2khf h PHE 6 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2khf h PHE 6 Cb 0.94 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 2khf h PHE 6 CO 0.04 -0.17 -0.48 -1.49 -2.23 0.00 0.00 178.31 173.99 2khf h TRP 7 N -0.72 -1.37 -0.94 0.41 4.06 -0.67 -1.24 115.95 115.47 2khf h TRP 7 Ca -0.05 0.04 0.16 0.00 2.06 0.00 0.00 58.89 61.09 2khf h TRP 7 Cb 0.50 0.59 -0.08 0.00 -1.00 0.00 0.00 29.16 29.16 2khf h TRP 7 CO 0.00 -0.57 0.60 0.66 -3.56 0.00 0.00 178.44 175.57 2khf h SER 8 N -0.71 0.70 -0.96 -3.49 4.64 -1.54 0.59 113.55 112.77 2khf h SER 8 Ca 0.01 0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2khf h SER 8 Cb 0.73 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.67 2khf h SER 8 CO -0.27 0.32 0.62 -1.28 -0.87 0.00 0.00 176.83 175.35 2khf h SER 9 N 0.72 0.94 0.44 4.97 0.87 -0.10 -2.10 113.55 119.30 2khf h SER 9 Ca 0.49 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.76 2khf h SER 9 Cb 0.79 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2khf h SER 9 CO -0.25 0.57 -1.38 -0.07 -0.53 0.00 0.00 176.83 175.16 2khf h LEU 10 N 1.04 0.62 -0.49 2.23 4.07 -0.44 -3.34 115.31 119.00 2khf h LEU 10 Ca 0.44 -0.68 0.10 0.00 0.08 0.00 0.00 57.88 57.81 2khf h LEU 10 Cb 0.31 -0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.75 2khf h LEU 10 CO -0.19 1.54 -0.08 0.03 -1.08 0.00 0.00 178.44 178.66 2khf h ARG 11 N 0.11 0.04 -0.81 1.13 3.08 -0.40 0.24 114.38 117.77 2khf h ARG 11 Ca -0.20 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.08 2khf h ARG 11 Cb 2.07 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 32.08 2khf h ARG 11 CO 0.23 0.02 0.58 0.87 -1.07 0.00 0.00 179.97 180.61 2khf h LYS 12 N 0.04 0.00 0.01 0.04 1.57 -1.54 0.26 116.57 116.95 2khf h LYS 12 Ca 0.24 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 2khf h LYS 12 Cb 0.37 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2khf h LYS 12 CO -0.48 0.00 -1.09 0.78 -0.57 0.00 0.00 179.45 178.09 2khf h GLY 13 N 0.00 0.02 2.00 3.86 0.00 -0.70 -3.11 103.07 105.14 2khf h GLY 13 Ca 0.38 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.47 2khf h GLY 13 CO -0.01 0.05 -0.93 0.74 0.00 0.00 0.00 176.54 176.39 2khf h PHE 14 N 0.00 0.00 0.00 5.60 -1.00 0.21 -3.24 116.94 118.52 2khf h PHE 14 Ca -0.05 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 2khf h PHE 14 Cb 1.81 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.35 2khf h PHE 14 CO 0.00 0.93 -0.48 1.88 -1.61 0.00 0.00 178.31 179.03 2khf h TYR 15 N 0.00 0.00 0.00 -0.55 0.05 -0.88 -0.68 116.97 114.90 2khf h TYR 15 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2khf h TYR 15 Cb 1.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.44 2khf h TYR 15 CO 0.00 0.48 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.13 2khf h ASP 16 N 0.00 0.00 0.00 3.88 3.32 -1.56 -3.45 116.42 118.61 2khf h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2khf h ASP 16 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2khf h ASP 16 CO 0.06 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 2khf n GLY 17 N -1.27 0.64 0.34 2.75 0.00 -1.15 -4.99 105.19 101.51 2khf n GLY 17 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.17 2khf n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2khf h GLU 18 N 0.00 0.00 -0.20 1.61 5.08 -1.63 0.29 114.58 119.73 2khf h GLU 18 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2khf h GLU 18 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2khf h GLU 18 CO 0.00 0.00 0.25 0.00 -1.00 0.00 0.00 179.01 178.26 2khf h ALA 19 N 1.75 1.80 0.00 3.43 0.00 -1.38 -2.60 119.26 122.25 2khf h ALA 19 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2khf h ALA 19 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2khf h ALA 19 CO -0.00 -0.35 -0.61 0.41 0.00 0.00 0.00 179.25 178.69 2khf n GLY 20 N -1.39 0.00 0.36 0.00 0.00 -0.15 -4.66 105.19 99.34 2khf n GLY 20 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2khf n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2khf h ARG 21 N 0.00 0.39 0.00 1.61 2.43 -0.60 0.23 114.38 118.44 2khf h ARG 21 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2khf h ARG 21 Cb 0.61 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2khf h ARG 21 CO 0.00 0.26 -0.05 0.00 -1.51 0.00 0.00 179.97 178.66 2khf h ALA 22 N 1.68 0.98 0.00 2.80 0.00 -1.64 -3.00 119.26 120.08 2khf h ALA 22 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2khf h ALA 22 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2khf h ALA 22 CO -0.09 0.07 -0.00 0.82 0.00 0.00 0.00 179.25 180.05 2khf h ILE 23 N 0.00 0.00 -1.92 0.00 1.08 -0.71 -3.46 117.51 112.50 2khf h ILE 23 Ca -0.00 -0.35 -0.42 0.00 -0.39 0.00 0.00 64.86 63.70 2khf h ILE 23 Cb 0.80 1.35 -0.10 0.00 -3.07 0.00 0.00 36.82 35.80 2khf h ILE 23 CO 0.01 0.00 -0.46 0.54 -0.69 0.00 0.00 178.15 177.55 2khf n ARG 24 N -3.09 -1.55 0.00 2.37 5.12 -1.14 -5.13 116.66 113.24 2khf n ARG 24 Ca -0.01 1.13 0.05 0.00 -1.93 0.00 0.00 57.85 57.09 2khf n ARG 24 Cb 0.23 -5.65 0.28 0.00 -1.16 0.00 0.00 32.46 26.16 2khf n ARG 24 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59